4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine

C19H26ClN7 — CID 19138163

IUPAC4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2N)CC1
InChIInChI=1S/C19H26ClN7/c1-24-5-7-26(8-6-24)18-17(21)19(23-14-22-18)27-11-9-25(10-12-27)16-4-2-3-15(20)13-16/h2-4,13-14H,5-12,21H2,1H3
InChIKeyHDOHMUJMZMKGNH-UHFFFAOYSA-N
MW387.92 g/mol
LogP1.79
Rot. Bonds3

About 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19138163) has the molecular formula C19H26ClN7 and a molecular weight of 387.92 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19138163
Molecular FormulaC19H26ClN7
Molecular Weight387.92 g/mol
Exact Mass387.19
IUPAC Name4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2N)CC1
InChIInChI=1S/C19H26ClN7/c1-24-5-7-26(8-6-24)18-17(21)19(23-14-22-18)27-11-9-25(10-12-27)16-4-2-3-15(20)13-16/h2-4,13-14H,5-12,21H2,1H3
InChIKeyHDOHMUJMZMKGNH-UHFFFAOYSA-N
XLogP1.79
TPSA64.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19139209
4-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 79910450
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
4-N-(2-chlorophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139109
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2,4-dichlorophenyl)pyrimidine-4,5-diamine
CID 19139127
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-methylpyrimidine-4,5-diamine
CID 22539526
4-N-benzyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19136143
N'-[5-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19138262
4-N-(3-bromophenyl)-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139169
N'-[5-amino-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19139147
5-[4-(3-chlorophenyl)piperazin-1-yl]-1,3-dimethylpyrazol-4-amine
CID 43553966
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5-diamine
CID 22541841

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine (CID 19138163) is 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine is CN1CCN(c2ncnc(N3CCN(c4cccc(Cl)c4)CC3)c2N)CC1.
What is the InChIKey of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is HDOHMUJMZMKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN7/c1-24-5-7-26(8-6-24)18-17(21)19(23-14-22-18)27-11-9-25(10-12-27)16-4-2-3-15(20)13-16/h2-4,13-14H,5-12,21H2,1H3.
What are the key properties of 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 387.92 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19138163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).